ChemDB: Chemical Search
Download
Chemical ID: 4114916
Chemical ID:
4114916
Name [?]:
2-chloro-4,5-difluoro-benzoic acid
SMILES [?]:
c1c(c(cc(c1F)F)Cl)C(=O)O
InChi [?]:
InChI=1/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,2,3,6,5,10,9,7,8,11,12/E:(11,12)/rA:12nCCCCCCFFClCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H3ClF2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.09262 |
Area: | 308.849 |
Solvation: | -3.6286 |
Coulombic: | -32.9778 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.547 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.58 |
LogP (Chemaxon): | 2.36 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|